2-[(E)-(dimethylhydrazinylidene)methyl]phenol;2-[(E)-hydrazinylidenemethyl]phenol;2-[(E)-(methylhydrazinylidene)methyl]phenol

C24H30N6O3 — CID 172938978

IUPAC2-[(E)-(dimethylhydrazinylidene)methyl]phenol;2-[(E)-hydrazinylidenemethyl]phenol;2-[(E)-(methylhydrazinylidene)methyl]phenol
SMILESCN(C)/N=C/c1ccccc1O.CN/N=C/c1ccccc1O.N/N=C/c1ccccc1O
InChIInChI=1S/C9H12N2O.C8H10N2O.C7H8N2O/c1-11(2)10-7-8-5-3-4-6-9(8)12;1-9-10-6-7-4-2-3-5-8(7)11;8-9-5-6-3-1-2-4-7(6)10/h3-7,12H,1-2H3;2-6,9,11H,1H3;1-5,10H,8H2/b10-7+;10-6+;9-5+
InChIKeyUVWUUOXSYZYQEK-ONYLAPORSA-N
MW450.54 g/mol
LogP2.92
Rot. Bonds5

About 2-[(E)-(dimethylhydrazinylidene)methyl]phenol;2-[(E)-hydrazinylidenemethyl]phenol;2-[(E)-(methylhydrazinylidene)methyl]phenol

2-[(E)-(dimethylhydrazinylidene)methyl]phenol;2-[(E)-hydrazinylidenemethyl]phenol;2-[(E)-(methylhydrazinylidene)methyl]phenol (PubChem CID 172938978) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-[(E)-(dimethylhydrazinylidene)methyl]phenol;2-[(E)-hydrazinylidenemethyl]phenol;2-[(E)-(methylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-[(E)-(dimethylhydrazinylidene)methyl]phenol;2-[(E)-hydrazinylidenemethyl]phenol;2-[(E)-(methylhydrazinylidene)methyl]phenol
PubChem CID172938978
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Name2-[(E)-(dimethylhydrazinylidene)methyl]phenol;2-[(E)-hydrazinylidenemethyl]phenol;2-[(E)-(methylhydrazinylidene)methyl]phenol
SMILESCN(C)/N=C/c1ccccc1O.CN/N=C/c1ccccc1O.N/N=C/c1ccccc1O
InChIInChI=1S/C9H12N2O.C8H10N2O.C7H8N2O/c1-11(2)10-7-8-5-3-4-6-9(8)12;1-9-10-6-7-4-2-3-5-8(7)11;8-9-5-6-3-1-2-4-7(6)10/h3-7,12H,1-2H3;2-6,9,11H,1H3;1-5,10H,8H2/b10-7+;10-6+;9-5+
InChIKeyUVWUUOXSYZYQEK-ONYLAPORSA-N
XLogP2.92
TPSA139.06 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

copper;2-[(E)-hydrazinylidenemethyl]phenol;hydrate
CID 137286073
1-[(2-hydroxyphenyl)methylideneamino]-1-methylthiourea
CID 137176391
2-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,4-diol
CID 135532292
2-[(E)-[[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-methylprop-1-enyl]hydrazinylidene]methyl]phenol
CID 166987250
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
5-(dimethylamino)-2-[(diphenylhydrazinylidene)methyl]phenol
CID 136612078
N-[(2-hydroxyphenyl)methylideneamino]ethanesulfonamide
CID 137228781
2-[(E)-(dimethylhydrazinylidene)methyl]-4-N-methylbenzene-1,4-diamine
CID 130443214
N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide
CID 135531553
1,3-bis[(2-hydroxyphenyl)methylideneamino]thiourea
CID 3446799
(2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135688184
ethane;N-[(E)-(2-hydroxyphenyl)methylideneamino]formamide;tin(4+)
CID 135860591

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(dimethylhydrazinylidene)methyl]phenol;2-[(E)-hydrazinylidenemethyl]phenol;2-[(E)-(methylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-[(E)-(dimethylhydrazinylidene)methyl]phenol;2-[(E)-hydrazinylidenemethyl]phenol;2-[(E)-(methylhydrazinylidene)methyl]phenol (CID 172938978) is 2-[(E)-(dimethylhydrazinylidene)methyl]phenol;2-[(E)-hydrazinylidenemethyl]phenol;2-[(E)-(methylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-[(E)-(dimethylhydrazinylidene)methyl]phenol;2-[(E)-hydrazinylidenemethyl]phenol;2-[(E)-(methylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-[(E)-(dimethylhydrazinylidene)methyl]phenol;2-[(E)-hydrazinylidenemethyl]phenol;2-[(E)-(methylhydrazinylidene)methyl]phenol is CN(C)/N=C/c1ccccc1O.CN/N=C/c1ccccc1O.N/N=C/c1ccccc1O.
What is the InChIKey of 2-[(E)-(dimethylhydrazinylidene)methyl]phenol;2-[(E)-hydrazinylidenemethyl]phenol;2-[(E)-(methylhydrazinylidene)methyl]phenol?
The InChIKey is UVWUUOXSYZYQEK-ONYLAPORSA-N. The full InChI is InChI=1S/C9H12N2O.C8H10N2O.C7H8N2O/c1-11(2)10-7-8-5-3-4-6-9(8)12;1-9-10-6-7-4-2-3-5-8(7)11;8-9-5-6-3-1-2-4-7(6)10/h3-7,12H,1-2H3;2-6,9,11H,1H3;1-5,10H,8H2/b10-7+;10-6+;9-5+.
What are the key properties of 2-[(E)-(dimethylhydrazinylidene)methyl]phenol;2-[(E)-hydrazinylidenemethyl]phenol;2-[(E)-(methylhydrazinylidene)methyl]phenol?
2-[(E)-(dimethylhydrazinylidene)methyl]phenol;2-[(E)-hydrazinylidenemethyl]phenol;2-[(E)-(methylhydrazinylidene)methyl]phenol has a molecular weight of 450.54 g/mol, XLogP of 2.92, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(dimethylhydrazinylidene)methyl]phenol;2-[(E)-hydrazinylidenemethyl]phenol;2-[(E)-(methylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 172938978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).